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Compound Detail

CHEMBL312132

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Clc1ncc(OC[C@@H]2CCN2)cc1-c1cccnc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL312132
Phase Preclinical
Structure Type MOL
InChI Key BHZUMHSBELOKKN-NSHDSACASA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

275.7
MW (Da)
2.54
ALogP
4
HBA
1
HBD
47.0
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H14ClN3O
MW 275.74
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.32

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
15115389 10.1021/jm030432v No relevant target 2
15115389 10.1021/jm030432v Neuronal acetylcholine receptor; alpha4/beta2 1

Data from ChEMBL 36 via Core Engine